Geometry & MOs

Info

ID:	356214
PubChem CID:	127291250
Reduced:	ClSN2O4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	398.106706
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	4.38
IP(EA), eV:	-8.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)NCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations